SCHEMBL8900508

SCHEMBL8900508

COc1ccc(Cn2c(C(=O)O)c(-c3ccc4c(c3)OCO4)c3cc(OCc4ccccc4)ccc32)c(OCC(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.78
EDNRB P24530 16/20 0.78

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8902029 0.93 EDNRA (0.71) EDNRAEDNRB
SCHEMBL8900589 0.91 EDNRA (0.65) EDNRAEDNRB
SCHEMBL8901337 0.90 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8902138 0.89 EDNRA (0.71) EDNRAEDNRB
SCHEMBL8902400 0.87 EDNRB (0.65) EDNRAEDNRB
SCHEMBL9046516 0.82 EDNRB (0.52) EDNRAEDNRB
SCHEMBL8039429 0.82 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8856638 0.79 EDNRA (0.78) EDNRAEDNRB
SCHEMBL8856822 0.79 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8900567 0.79 EDNRA (0.57) EDNRAEDNRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO claimed
US-5686481-A INDOLE DERIVATIVES; TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed